4-(4-hexoxy-3,5-dimethyl-phenyl)carbonyloxybutyl-trimethyl-azanium iodide

Systemtic Name: 4-(4-hexoxy-3,5-dimethyl-phenyl)carbonyloxybutyl-trimethyl-azanium iodide Openeye Name: 4-(4-hexoxy-3,5-dimethyl-benzoyl)oxybutyl-trimethyl-ammonium iodide CAS Name: 4-[(4-hexoxy-3,5-dimethylphenyl)-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 4-(4-hexoxy-3,5-dimethylbenzoyl)oxybutyl-trimethylazanium iodide Traditional Name: 4-(4-hexoxy-3,5-dimethyl-benzoyl)oxybutyl-trimethyl-ammonium iodide Formula: C22H38INO3 MolecularWeight: 491.44649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1C)C(=O)OCCCC[N+](C)(C)C)C.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1C)C(=O)OCCCC[N+](C)(C)C)C.[I-]

InChI

InChI=1S/C22H38NO3.HI/c1-7-8-9-11-14-25-21-18(2)16-20(17-19(21)3)22(24)26-15-12-10-13-23(4,5)6;/h16-17H,7-15H2,1-6H3;1H/q+1;/p-1